N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide

C25H20N2O2 — CID 5332319

IUPACN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c1-29-24-16-15-20-9-5-6-10-22(20)23(24)17-26-27-25(28)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-17H,1H3,(H,27,28)/b26-17+
InChIKeyIGKNGGYVNFAQNB-YZSQISJMSA-N
MW380.45 g/mol
LogP5.28
Rot. Bonds5

About N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide (PubChem CID 5332319) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
PubChem CID5332319
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c1-29-24-16-15-20-9-5-6-10-22(20)23(24)17-26-27-25(28)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-17H,1H3,(H,27,28)/b26-17+
InChIKeyIGKNGGYVNFAQNB-YZSQISJMSA-N
XLogP5.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide (CID 5332319) is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide is COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The InChIKey is IGKNGGYVNFAQNB-YZSQISJMSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-29-24-16-15-20-9-5-6-10-22(20)23(24)17-26-27-25(28)21-13-11-19(12-14-21)18-7-3-2-4-8-18/h2-17H,1H3,(H,27,28)/b26-17+.
What are the key properties of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5332319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).